Dataset

Mono(2-ethyl-5-hydroxyhexyl)phthalate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN114529 contains the MS2 mass spectrum of Mono(2-ethyl-5-hydroxyhexyl)phthalate with the InChIkey RYPQSGURZSTFSX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H22O5/c1-3-12(9-8-11(2)17)10-21-16(20)14-7-5-4-6-13(14)15(18)19/h4-7,11-12,17H,3,8-10H2,1-2H3,(H,18,19)
SMILES CCC(CCC(C)O)COC(=O)C1=CC=CC=C1C(=O)O
InChI Key RYPQSGURZSTFSX-UHFFFAOYSA-N
Molecular Formula C16H22O5
Exact Mass 294.147 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN114529
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:34:58.975898
MetadataModified 2025-02-08T18:51:39.103319
MetadataPublished 2021-08-06
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0094679 Human Metabolome Database
132607 ChEBI
MTBLC132607 Metabolights
J1.884.645D Nikkaji
DTXSID50873160 EPA CompTox Dashboard
SCHEMBL15363960 SureChEMBL
31593096 eMolecules
16535886 PubChem: Thomson Pharma
40321-99-1 ACToR
170295 PubChem
The data in this table is sourced from UniChem at EBI.